Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | EP300 | Q09472 | 1/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.44 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30267558 | 1.00 | THRB (0.45) | THRBALDH1A1HDAC3IDO1EP300 | |
| SCHEMBL28429832 | 0.92 | ALOX15 (0.52) | THRBALDH1A1HDAC3IDO1EP300 | |
| SCHEMBL9618749 | 0.91 | THRB (0.51) | THRBHSD17B10MAPTMEN1KMT2A | |
| SCHEMBL29364830 | 0.87 | PTPN22 (0.52) | ALDH1A1HDAC3IDO1EP300KAT2B | |
| SCHEMBL2068058 | 0.87 | PTPN22 (0.52) | ALDH1A1HDAC3IDO1EP300KAT2B | |
| SCHEMBL10586899 | 0.82 | MEN1 (0.52) | THRBHSD17B10MAPTMEN1KMT2A | |
| SCHEMBL28457819 | 0.82 | TDP1 (0.52) | THRBALDH1A1ALOX15HSD17B10MAPT | |
| SCHEMBL7799289 | 0.82 | TRPA1 (0.52) | THRBALDH1A1ALOX15HSD17B10MAPT | |
| SCHEMBL28430312 | 0.81 | HSP90AA1 (0.53) | THRBALDH1A1HSD17B10MAPTMEN1 | |
| SCHEMBL30267541 | 0.81 | HSP90AA1 (0.53) | THRBALDH1A1HSD17B10MAPTMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111423332-B | Method for splitting chiral compound | 上海科技大学 | 2023-02-10 | — | — | CN | disclosed |
| CN-111423332-A | Method for splitting chiral compound | 上海科技大学 | 2020-07-17 | — | — | CN | disclosed |